N-benzhydryl-2-chlorobenzamide

C20H16ClNO — CID 587609

IUPACN-benzhydryl-2-chlorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H16ClNO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKeyMHSQPODDPOIAKE-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.86
Rot. Bonds4

About N-benzhydryl-2-chlorobenzamide

N-benzhydryl-2-chlorobenzamide (PubChem CID 587609) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is N-benzhydryl-2-chlorobenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-chlorobenzamide
PubChem CID587609
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC NameN-benzhydryl-2-chlorobenzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H16ClNO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)
InChIKeyMHSQPODDPOIAKE-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-chloro-N-cyclohexylbenzamide
CID 24752728
Ssr-504734
CID 9954540
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
Jnj-63533054
CID 2548547
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
Bibx-79
CID 501396

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-chlorobenzamide?
The IUPAC name of N-benzhydryl-2-chlorobenzamide (CID 587609) is N-benzhydryl-2-chlorobenzamide.
What is the SMILES notation for N-benzhydryl-2-chlorobenzamide?
The canonical SMILES for N-benzhydryl-2-chlorobenzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-benzhydryl-2-chlorobenzamide?
The InChIKey is MHSQPODDPOIAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-18-14-8-7-13-17(18)20(23)22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23).
What are the key properties of N-benzhydryl-2-chlorobenzamide?
N-benzhydryl-2-chlorobenzamide has a molecular weight of 321.81 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-chlorobenzamide is sourced from PubChem (CID 587609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).